SCHEMBL2653555

SCHEMBL2653555

CC(=O)N1CCN(c2cccc(Nc3ccc(C)cc3N)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
CCNT1 O60563 7/20 0.49
CCNA2 P20248 7/20 0.49
CDK2 P24941 7/20 0.49
CDK9 P50750 7/20 0.49
CDK1 P06493 4/20 0.49
CCNB1 P14635 4/20 0.49
CDK7 P50613 3/20 0.49
CCNH P51946 3/20 0.49
GFER P55789 2/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
SYK P43405 1/20 0.47
SETD2 Q9BYW2 1/20 0.46
CASP6 P55212 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2655735 0.88 MAPT (0.48) NPC1PKMCCNT1CCNA2CDK2
SCHEMBL2655224 0.86 CCNT1 (0.45) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL2655693 0.86 GAA (0.52) NPC1PKMCCNT1CCNA2CDK2
SCHEMBL2656292 0.85 LMNA (0.52) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL13917349 0.84 NPC1 (0.47) NPC1PKMCCNT1CCNA2CDK2
SCHEMBL2656495 0.83 ALDH1A1 (0.48) NPC1PKMGFERCA12CA1
SCHEMBL4199937 0.82 SCN9A (0.45) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL4202254 0.82 KDM4E (0.42) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL2654719 0.82 CCNT1 (0.42) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL2654981 0.82 SMN1; SMN2 (0.51) CCNT1CCNA2CDK2CDK9CDK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062304-A1 Benzimidazole derivatives and their use for modulating the gaba-alpha receptor complex NEUROSEARCH A/S (DK) 2009-03-05 US disclosed
EP-1874735-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-01-09 EP disclosed
WO-2006111517-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090062304-A1 Benzimidazole derivatives and their use for modulating the gaba-alpha receptor complex GABRB1, GABRB2, GABRB3 NPC1 1879/4885PKM 497/4885CCNT1 4531/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.